BDBM16289 3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hydroxy-1,6-dimethylheptan-4-yl]-1-N,1-N-dipropylbenzene-1,3-dicarboxamide::Hydroxyethylene (HE) compound 4::N -[(1S,2S,4R)-5-[(4-fluorophenyl)amino]-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-N,N-dipropylbenzene-1,3-dicarboxamide

SMILES: CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1

InChI Key: InChIKey=AJCHMQHPRWWZRF-AIGMYPEUSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 16289   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
beta-Secretase (BACE-1) (Homo sapiens (Human))	BDBM16289 (3-N-[(1R,3S,4S)-1-[(4-fluorophenyl)carbamoyl]-3-hy...) Show SMILES CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C30H42FN3O4/c1-6-15-34(16-7-2)30(38)23-10-8-9-22(19-23)29(37)33-26(17-20(3)4)27(35)18-21(5)28(36)32-25-13-11-24(31)12-14-25/h8-14,19-21,26-27,35H,6-7,15-18H2,1-5H3,(H,32,36)(H,33,37)/t21-,26+,27+/m1/s1	PDB MMDB B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	-7.94	n/a	n/a	n/a	n/a	n/a	4.5	22
Sunesis					Assay Description Compounds were tested for their ability to inhibit BACE-1 hydrolysis of the internally quenched fluorescent substrate FS-2. Reactions were initiated ...				J Med Chem 49: 839-42 (2006) Article DOI: 10.1021/jm0509142 BindingDB Entry DOI: 10.7270/Q2PV6HM0
					More data for this Ligand-Target Pair